sodium 1-ethyl-4-fluorobenzene

C8H8FNa — CID 174390986

IUPACsodium 1-ethyl-4-fluorobenzene
SMILES[CH2-]Cc1ccc(F)cc1.[Na+]
InChIInChI=1S/C8H8F.Na/c1-2-7-3-5-8(9)6-4-7;/h3-6H,1-2H2;/q-1;+1
InChIKeyZKTDEECCMQAHQX-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.79
Rot. Bonds1

About sodium 1-ethyl-4-fluorobenzene

sodium 1-ethyl-4-fluorobenzene (PubChem CID 174390986) has the molecular formula C8H8FNa and a molecular weight of 146.14 g/mol. Its IUPAC name is sodium 1-ethyl-4-fluorobenzene.

Molecular Properties

Compound Namesodium 1-ethyl-4-fluorobenzene
PubChem CID174390986
Molecular FormulaC8H8FNa
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Namesodium 1-ethyl-4-fluorobenzene
SMILES[CH2-]Cc1ccc(F)cc1.[Na+]
InChIInChI=1S/C8H8F.Na/c1-2-7-3-5-8(9)6-4-7;/h3-6H,1-2H2;/q-1;+1
InChIKeyZKTDEECCMQAHQX-UHFFFAOYSA-N
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)
CID 87754590
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
lithium (4-fluorophenyl)methanethiolate
CID 23688006
1,4-difluorobenzene bromide
CID 21301175
1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62759131
1-fluoro-4-propylbenzene
CID 2737505
ethane;(4-fluorophenyl)methanamine
CID 142071105
magnesium;1-(bromomethyl)-4-fluorobenzene;hydride
CID 173010719
2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
CID 14461233
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
2-(4-fluorophenyl)ethylazanium iodide
CID 155288874

Frequently Asked Questions

What is the IUPAC name of sodium 1-ethyl-4-fluorobenzene?
The IUPAC name of sodium 1-ethyl-4-fluorobenzene (CID 174390986) is sodium 1-ethyl-4-fluorobenzene.
What is the SMILES notation for sodium 1-ethyl-4-fluorobenzene?
The canonical SMILES for sodium 1-ethyl-4-fluorobenzene is [CH2-]Cc1ccc(F)cc1.[Na+].
What is the InChIKey of sodium 1-ethyl-4-fluorobenzene?
The InChIKey is ZKTDEECCMQAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F.Na/c1-2-7-3-5-8(9)6-4-7;/h3-6H,1-2H2;/q-1;+1.
What are the key properties of sodium 1-ethyl-4-fluorobenzene?
sodium 1-ethyl-4-fluorobenzene has a molecular weight of 146.14 g/mol, XLogP of -0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-ethyl-4-fluorobenzene is sourced from PubChem (CID 174390986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).